U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiReN3 by Materials Project
Abstract
TiReN3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent N3- atoms to form TiN6 octahedra that share corners with three equivalent ReN6 octahedra, corners with six equivalent TiN6 octahedra, edges with three equivalent ReN6 octahedra, and a faceface with one ReN6 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are three shorter (2.05 Å) and three longer (2.13 Å) Ti–N bond lengths. Re5+ is bonded to six equivalent N3- atoms to form ReN6 octahedra that share corners with three equivalent TiN6 octahedra, corners with six equivalent ReN6 octahedra, edges with three equivalent TiN6 octahedra, and a faceface with one TiN6 octahedra. The corner-sharing octahedra tilt angles range from 45–56°. There are three shorter (1.95 Å) and three longer (2.14 Å) Re–N bond lengths. N3- is bonded in a rectangular see-saw-like geometry to two equivalent Ti4+ and two equivalent Re5+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-996940
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; TiReN3; N-Re-Ti
- OSTI Identifier:
- 1317066
- DOI:
- https://doi.org/10.17188/1317066
Citation Formats
The Materials Project. Materials Data on TiReN3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317066.
The Materials Project. Materials Data on TiReN3 by Materials Project. United States. doi:https://doi.org/10.17188/1317066
The Materials Project. 2020.
"Materials Data on TiReN3 by Materials Project". United States. doi:https://doi.org/10.17188/1317066. https://www.osti.gov/servlets/purl/1317066. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1317066,
title = {Materials Data on TiReN3 by Materials Project},
author = {The Materials Project},
abstractNote = {TiReN3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent N3- atoms to form TiN6 octahedra that share corners with three equivalent ReN6 octahedra, corners with six equivalent TiN6 octahedra, edges with three equivalent ReN6 octahedra, and a faceface with one ReN6 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are three shorter (2.05 Å) and three longer (2.13 Å) Ti–N bond lengths. Re5+ is bonded to six equivalent N3- atoms to form ReN6 octahedra that share corners with three equivalent TiN6 octahedra, corners with six equivalent ReN6 octahedra, edges with three equivalent TiN6 octahedra, and a faceface with one TiN6 octahedra. The corner-sharing octahedra tilt angles range from 45–56°. There are three shorter (1.95 Å) and three longer (2.14 Å) Re–N bond lengths. N3- is bonded in a rectangular see-saw-like geometry to two equivalent Ti4+ and two equivalent Re5+ atoms.},
doi = {10.17188/1317066},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}